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chemical_formula_hill
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Cu16
Cu
A
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[ "Cu" ]
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DFT-PBE
null
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MD_1086845055867124744315202
2024-08-16T14:21:46
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PO_1053994628837611757583950
null
null
null
[ "deepmd_set.000_1167" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1000540093703064931438494
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
A
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[ "Cu" ]
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1
32
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MD_1086845055867124744315202
2024-08-16T14:12:25
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PO_1490130955730312166012532
null
null
null
[ "data.000_set.000_86" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1001171521975035219453846
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
12124441765667771771972675873124365835962752059250256232922392968682160259997813370152027647662198314494700743806559622964066092408299365452910039156494337
DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu12
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
12
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MD_1086845055867124744315202
2024-08-16T14:14:23
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null
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[ "data.049_set.000_35" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1001324360687577611310076
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
12124441765667771771972675873124365835962752059250256232922392968682160259997813370152027647662198314494700743806559622964066092408299365452910039156494337
DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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2024-08-16T14:14:48
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[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1002336234135052295305781
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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297,597
0
15,284
0
15,284
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2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
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Cu
A
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MD_1086845055867124744315202
2024-08-16T15:01:58
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[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1002646659168289003239568
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
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297,597
0
15,284
0
15,284
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
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[ 1 ]
1
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2024-08-16T14:35:08
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[ "deepmd_set.000_602" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1003379988240286431386390
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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2024-08-16T15:32:44
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null
null
null
[ "deepmd_set.000_1543" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1003623433510793095313205
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
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[ "deepmd_set.000_612" ]
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CO_1004491469702839543273035
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
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LGPL-3.0-only
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10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu12
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:34:42
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[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1005303322013908038404083
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:34:51
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[ "deepmd_set.000_36" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1005857203470183484173145
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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15,286
297,597
0
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0
15,284
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2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
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MD_1086845055867124744315202
2024-08-16T14:31:31
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[ "deepmd_set.000_145" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1006227246966335801419229
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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15,286
297,597
0
15,284
0
15,284
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15,284
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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[ "Cu" ]
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MD_1086845055867124744315202
2024-08-16T14:51:45
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[ "deepmd_set.000_1097" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1006256025848284297372782
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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15,286
297,597
0
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu12
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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MD_1086845055867124744315202
2024-08-16T14:31:51
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PO_6830937579573441074723103
null
null
null
[ "data.026_set.000_75" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1007863899850821776116078
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
A
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[ "Cu" ]
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MD_1086845055867124744315202
2024-08-16T14:21:35
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[ "deepmd_set.000_319" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1010466584709415191149179
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
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[ "DS_101uk70asqhq_0" ]
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CO_1011952015636217577749203
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:36:02
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CO_1012926995846727446183180
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
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MD_1086845055867124744315202
2024-08-16T15:20:54
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[ "deepmd_set.000_987" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1013133715597774886581795
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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297,597
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[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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MD_1086845055867124744315202
2024-08-16T15:06:05
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2023-12-02T01:07:27
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CO_1014920633569339485070458
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
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DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
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2024-08-16T15:23:02
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2023-12-02T01:07:28
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CO_1015429973179512950188094
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
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[ 1 ]
LGPL-3.0-only
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10.60732/2060021e
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DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
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MD_1086845055867124744315202
2024-08-16T15:27:05
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2023-12-02T01:07:27
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CO_1015792122393588776591027
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:52:48
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[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1015830087300403732955847
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
-63.027695
758.074849
0
2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:55:05
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[ "data.042_set.000_10" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1016882138965008515767687
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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MD_1086845055867124744315202
2024-08-16T15:28:51
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PO_1056934787198471248553735
null
null
null
[ "deepmd_set.000_938" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1017183603232088878303384
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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MD_1086845055867124744315202
2024-08-16T15:15:56
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2023-12-02T01:07:27
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CO_1017794917600934525135955
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
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758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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1
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MD_1086845055867124744315202
2024-08-16T15:08:59
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[ "data.016_set.000_237" ]
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2023-12-02T01:07:27
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CO_1018333267842829446437665
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
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LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu32
Cu
A
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MD_1086845055867124744315202
2024-08-16T15:24:48
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[ "data.003_set.000_66" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1018793987950052235858243
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
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15,286
297,597
0
15,284
0
15,284
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15,284
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2023-12-01T20:09:10
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[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:13:51
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[ "deepmd_set.000_32" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1019191751342672601911222
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
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[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
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MD_1086845055867124744315202
2024-08-16T14:12:35
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[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:28
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CO_1021468311831081963265739
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
-63.027695
758.074849
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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2024-08-16T15:21:25
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CO_1021921455528698026073191
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
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0
15,284
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15,284
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2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
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2024-08-16T15:06:15
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2023-12-02T01:07:27
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CO_1022675827673900826617513
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
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0
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2023-12-01T20:09:10
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[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
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DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Cu16
Cu
A
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
[ "Cu" ]
[ 1 ]
1
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MD_1086845055867124744315202
2024-08-16T14:48:08
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[ "data.041_set.000_78" ]
[ "DS_101uk70asqhq_0" ]
2023-12-02T01:07:27
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CO_1023318839505931705708271
DP-GEN_Cu
[ "Yuzhi Zhang", "Haidi Wang", "Weijie Chen", "Jinzhe Zeng", "Linfeng Zhang", "Han Wang", "Weinan E" ]
Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
[ "Cu" ]
1
15,284
15,286
297,597
0
15,284
0
15,284
0
15,284
-63.027695
758.074849
0
2023-12-01T20:09:10
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 1 ]
LGPL-3.0-only
{'source-publication': 'https://doi.org/10.1016/j.cpc.2020.107206', 'source-data': 'https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen', 'other': None}
10.60732/2060021e
12124441765667771771972675873124365835962752059250256232922392968682160259997813370152027647662198314494700743806559622964066092408299365452910039156494337
DS_101uk70asqhq_0
DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
End of preview. Expand in Data Studio

Dataset

DP-GEN Cu

Description

Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.

Additional details stored in dataset columns prepended with "dataset_".

Dataset authors

Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, Weinan E

Publication

https://doi.org/10.1016/j.cpc.2020.107206

Original data link

https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen

License

Lgpl-3.0

Number of unique molecular configurations

15286

Number of atoms

297597

Elements included

Cu

Properties included

energy, atomic forces, cauchy stress

Cite this dataset

Zhang, Y., Wang, H., Chen, W., Zeng, J., Zhang, L., Wang, H., and E, W. DP-GEN Cu. ColabFit, 2023. https://doi.org/10.60732/2060021e

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